BDBM50181008 (S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenylsulfonyl)-2,2-dimethylthiomorpholine-3-carboxamide::CHEMBL206815::TMI-05::US9266848, Apratastat::US9365529, Apratastat

SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1

InChI Key InChIKey=MAVDNGWEBZTACC-HNNXBMFYSA-N

Data  22 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50181008   

TargetStromelysin-1(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  10nMAssay Description:The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  158nMAssay Description:Inhibition of TACE in human PBMC assessed as inhibition of TNFalpha productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 9(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  85nMAssay Description:The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  71nMAssay Description:The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  5nMpH: 7.4 T: 37°CAssay Description:The TACE enzyme is an internal production (carried out according to the publication Protein Eng Des Sel, 2006, 19, 155-161) and is added so as to hav...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetInterstitial collagenase(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  145nMAssay Description:The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetInterstitial collagenase(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  145nMAssay Description:The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetStromelysin-1(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  10nMAssay Description:The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetMatrix metalloproteinase-9(Human)
Galderma Research & Devlopment

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  82nMAssay Description:The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetDisintegrin and metalloproteinase domain-containing protein 9(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  85nMAssay Description:The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetDisintegrin and metalloproteinase domain-containing protein 10(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  71nMAssay Description:The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...More data for this Ligand-Target Pair
In DepthDetails US Patent

LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  5nMpH: 7.4 T: 37°CAssay Description:The TACE enzyme is an internal production (carried out according to the publication protein Eng Des Sel 2006, 19, 155-161) and is added so as to have...More data for this Ligand-Target Pair
In DepthDetails US Patent

TargetInterstitial collagenase(Human)
Galderma Research & Development

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  33nMAssay Description:Inhibition of MMP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Human)
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  8nMAssay Description:Inhibition of MMP13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  20nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  3.00E+5nMAssay Description:Inhibition of LPS-stimulated TNF production in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  440nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  140nMAssay Description:Inhibition of LPS-stimulated TNF production in THP cells at 1 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  126nMAssay Description:Inhibition of TACE in NHEK assessed as reduction in LPS/TPA-stimulated TNFalpha production preincubated for 1 hr followed by LPS/TPA stimulation for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  120nMAssay Description:Inhibition of TACE in NHEK assessed as reduction in LPS/TPA-stimulated TNFalpha production preincubated for 1 hr followed by LPS/TPA stimulation for ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  158nMAssay Description:Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Human)
Galderma Research & Devlopment

US Patent
LigandPNGBDBM50181008((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Affinity DataIC50:  82nMAssay Description:The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...More data for this Ligand-Target Pair
In DepthDetails US Patent